BDBM50280341 CHEMBL4174004

SMILES Nc1ncnc2n(CC(=O)NCCc3ccc(cc3)S(N)(=O)=O)cnc12

InChI Key InChIKey=PUMWMJFQZZVYPO-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50280341   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florence

Curated by ChEMBL
LigandPNGBDBM50280341(CHEMBL4174004)
Affinity DataKi:  8.20nMAssay Description:Inhibition of bovine adrenal cholesterol side chain cleavage(CSCC) cytochrome P450 11A1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Florence

Curated by ChEMBL
LigandPNGBDBM50280341(CHEMBL4174004)
Affinity DataKi:  11nMAssay Description:Inhibition of human placental cytochrome P450 19A1 androstenedioneMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Florence

Curated by ChEMBL
LigandPNGBDBM50280341(CHEMBL4174004)
Affinity DataKi:  812nMAssay Description:Inhibition of bovine adrenal cholesterol side chain cleavage(CSCC) cytochrome P450 11A1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
University Of Florence

Curated by ChEMBL
LigandPNGBDBM50280341(CHEMBL4174004)
Affinity DataKi:  2.25E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed